1# Stuttgart RLC ECP EMSL Basis Set Exchange Library 3/15/13 10:17 AM 2# Elements References 3# -------- ---------- 4# Li - Be: P. Fuentealba, H. Preuss, H. Stoll, L. v. Szentpaly, Chem. Phys. Lett. 5# Na 89, 418 (1982). 6# B - Ne: A. Bergner, M. Dolg, W. Kuechle, H. Stoll, H. Preuss, Mol. Phys. 80, 7# 1431 (1993). 8# Mg : P. Fuentealba, L. v. Szentpaly, H. Preuss, H. Stoll, J. Phys. B 18, 9# 1287 (1985). 10# Al : G. Igel-Mann, H. Stoll, H. Preuss, Mol. Phys. 65, 1321 (1988). 11# Hg - Rn: W. Kuechle, M. Dolg, H. Stoll, H. Preuss, Mol. Phys. 74, 1245 (1991). 12# 13 14 15basis "Li_Stuttgart RLC ECP" SPHERICAL 16Li S 17 3.0473270 0.0065550 18 0.6035790 -0.1404010 19 0.0691380 0.6237560 20Li S 21 0.0265020 1.0000000 22Li P 23 0.8371580 0.0435070 24 0.1719410 0.2296490 25 0.0520790 0.5629490 26Li P 27 0.0191720 1.0000000 28end 29basis "Be_Stuttgart RLC ECP" SPHERICAL 30Be S 31 1.1106443 -0.1718890 32 0.3714650 0.1291580 33 0.1326780 0.6148590 34Be S 35 0.0477510 1.0000000 36Be P 37 2.8845777 0.0315250 38 0.7801440 0.1438880 39 0.2200610 0.4846120 40Be P 41 0.0664070 1.0000000 42end 43basis "B_Stuttgart RLC ECP" SPHERICAL 44B S 45 1.6905600 -0.2722080 46 0.9836660 0.2011280 47 0.2569790 0.5777630 48B S 49 0.0950380 1.0000000 50B P 51 5.3999130 0.0349410 52 1.2712170 0.1868340 53 0.3619090 0.4684630 54B P 55 0.1076610 1.0000000 56end 57basis "C_Stuttgart RLC ECP" SPHERICAL 58C S 59 2.2631010 0.4965480 60 1.7731860 -0.4223910 61 0.4086190 -0.5993560 62C S 63 0.1391750 1.0000000 64C P 65 8.3830250 -0.0385440 66 1.9931320 -0.2031850 67 0.5595430 -0.4981760 68C P 69 0.1561260 1.0000000 70end 71basis "N_Stuttgart RLC ECP" SPHERICAL 72N S 73 32.6568390 -0.0137940 74 4.5891890 0.1291290 75 0.7062510 -0.5680940 76N S 77 0.2163990 1.0000000 78N P 79 12.1469740 -0.0412960 80 2.8842650 -0.2140090 81 0.8085640 -0.5027830 82N P 83 0.2221630 1.0000000 84end 85basis "O_Stuttgart RLC ECP" SPHERICAL 86O S 87 47.1055180 -0.0144080 88 5.9113460 0.1295680 89 0.9764830 -0.5631180 90O S 91 0.2960700 1.0000000 92O P 93 16.6922190 0.0448560 94 3.9007020 0.2226130 95 1.0782530 0.5001880 96O P 97 0.2841890 1.0000000 98O P 99 0.0702000 1.0000000 100end 101basis "F_Stuttgart RLC ECP" SPHERICAL 102F S 103 51.6427630 0.0085660 104 9.4142770 -0.1530090 105 1.2141230 0.5898350 106F S 107 0.3700810 1.0000000 108F P 109 22.3008300 0.0518510 110 4.9545730 0.2372870 111 1.3423110 0.5076660 112F P 113 0.3465300 1.0000000 114F P 115 0.0847720 1.0000000 116end 117basis "Ne_Stuttgart RLC ECP" SPHERICAL 118Ne S 119 612.0024370 -0.0061070 120 80.9520440 -0.0426030 121 13.8642010 0.4521960 122 8.7455260 0.5799560 123Ne S 124 1.9923460 1.0000000 125Ne S 126 0.8008030 1.0000000 127Ne S 128 0.3077740 1.0000000 129Ne P 130 158.3145350 0.0078510 131 37.3011280 0.0713160 132 12.7055580 0.2863920 133 4.5870870 0.7353940 134Ne P 135 1.7356620 1.0000000 136Ne P 137 0.6405530 1.0000000 138Ne P 139 0.2225440 1.0000000 140Ne D 141 4.2748000 1.0000000 142Ne D 143 1.1717000 1.0000000 144Ne D 145 0.3211000 1.0000000 146Ne F 147 2.5795000 1.0000000 148end 149basis "Na_Stuttgart RLC ECP" SPHERICAL 150Na S 151 2.6033363 0.0088240 152 0.5172170 -0.1832270 153 0.0581960 0.6520170 154Na S 155 0.0231410 1.0000000 156Na P 157 0.4992060 0.0185470 158 0.0792190 0.2762110 159 0.0299460 0.5870040 160Na P 161 0.0126050 1.0000000 162end 163basis "Mg_Stuttgart RLC ECP" SPHERICAL 164Mg S 165 2.4257193 0.0267640 166 0.8226250 -0.2238800 167 0.1077490 0.6204640 168Mg S 169 0.0394850 1.0000000 170Mg P 171 0.7690470 -0.0366480 172 0.1886750 0.2431450 173 0.0751010 0.5547840 174Mg P 175 0.0294970 1.0000000 176end 177basis "Al_Stuttgart RLC ECP" SPHERICAL 178Al S 179 2.7863370 -0.0464110 180 1.1436350 0.2744720 181 0.1700270 -0.6252340 182Al S 183 0.0673240 1.0000000 184Al P 185 0.9837940 0.0520360 186 0.3582450 -0.1550940 187 0.1381580 -0.5325840 188Al P 189 0.0449750 1.0000000 190end 191basis "Si_Stuttgart RLC ECP" SPHERICAL 192Si S 193 4.0143780 -0.0395080 194 1.3937070 0.2961500 195 0.2516580 -0.5997520 196Si S 197 0.1001800 1.0000000 198Si P 199 1.1024810 0.0845830 200 0.5831270 -0.1857480 201 0.2086750 -0.5548520 202Si P 203 0.0691470 1.0000000 204end 205basis "P_Stuttgart RLC ECP" SPHERICAL 206P S 207 6.7223080 -0.0324550 208 1.6240630 0.2850560 209 0.3319290 -0.6469140 210P S 211 0.1208190 1.0000000 212P P 213 1.2832210 -0.0559620 214 0.5997250 0.2863630 215 0.2277590 0.5522570 216P P 217 0.0844240 1.0000000 218end 219basis "S_Stuttgart RLC ECP" SPHERICAL 220S S 221 6.8335180 -0.0438750 222 2.0777380 0.3198940 223 0.4191210 -0.6612330 224S S 225 0.1532370 1.0000000 226S P 227 1.8171390 -0.0792270 228 0.8550700 0.2636710 229 0.3120530 0.5806820 230S P 231 0.1016870 1.0000000 232S P 233 0.0298100 1.0000000 234end 235basis "Cl_Stuttgart RLC ECP" SPHERICAL 236Cl S 237 14.0730760 0.0203450 238 2.3315650 -0.2892230 239 0.5071000 0.6303670 240Cl S 241 0.1824330 1.0000000 242Cl P 243 3.3531290 -0.0415520 244 0.7856860 0.3997480 245 0.2674540 0.5918290 246Cl P 247 0.0782750 1.0000000 248Cl P 249 0.0154770 1.0000000 250end 251basis "Ar_Stuttgart RLC ECP" SPHERICAL 252Ar S 253 174.6696550 0.0025870 254 12.6957680 0.0623130 255 2.9178340 -1.0421580 256Ar S 257 0.6708400 1.0000000 258Ar S 259 0.2991120 1.0000000 260Ar S 261 0.1314020 1.0000000 262Ar P 263 19.8872210 0.0233460 264 3.7761720 -0.2246210 265 1.2115160 1.1375960 266Ar P 267 0.5384990 1.0000000 268Ar P 269 0.2295750 1.0000000 270Ar P 271 0.0951030 1.0000000 272Ar D 273 1.4509000 1.0000000 274Ar D 275 0.4385000 1.0000000 276Ar D 277 0.1325000 1.0000000 278Ar F 279 0.9305000 1.0000000 280end 281basis "K_Stuttgart RLC ECP" SPHERICAL 282K S 283 1.1054926 0.0251350 284 0.2694510 -0.2849110 285 0.0448520 0.4735740 286K S 287 0.0205690 1.0000000 288K P 289 0.2202780 -0.0644430 290 0.0516110 0.2701400 291 0.0222530 0.6012890 292K P 293 0.0098480 1.0000000 294end 295basis "Ca_Stuttgart RLC ECP" SPHERICAL 296Ca S 297 0.8382650 0.1068310 298 0.4323130 -0.3872400 299 0.0651100 0.6454090 300Ca S 301 0.0271070 1.0000000 302Ca P 303 0.3169150 -0.1171340 304 0.1160180 0.2385410 305 0.0497080 0.5986320 306Ca P 307 0.0214780 1.0000000 308end 309basis "Zn_Stuttgart RLC ECP" SPHERICAL 310Zn S 311 1.5727550 0.3138620 312 1.1989050 -0.5418010 313Zn S 314 0.1488560 1.0000000 315Zn S 316 0.0510160 1.0000000 317Zn P 318 0.1362700 1.0000000 319Zn P 320 0.0415000 1.0000000 321end 322basis "Ga_Stuttgart RLC ECP" SPHERICAL 323Ga S 324 3.4847750 0.1143940 325 1.6858350 -0.3601310 326 0.1785420 0.6937990 327Ga S 328 0.0678140 1.0000000 329Ga P 330 1.2832310 0.1028340 331 0.4761630 -0.1408860 332 0.1556210 -0.4773150 333Ga P 334 0.0542940 1.0000000 335end 336basis "Ge_Stuttgart RLC ECP" SPHERICAL 337Ge S 338 3.2312530 0.2221800 339 1.9475450 -0.5066160 340 0.2323200 0.7088450 341Ge S 342 0.0866690 1.0000000 343Ge P 344 1.2278050 0.2239500 345 0.7568560 -0.2291340 346 0.2043470 -0.5764140 347Ge P 348 0.0677920 1.0000000 349end 350basis "As_Stuttgart RLC ECP" SPHERICAL 351As S 352 3.4314740 0.1481660 353 1.8968660 -0.4498900 354 0.2944490 0.6956820 355As S 356 0.1118960 1.0000000 357As P 358 1.2964470 -0.3699540 359 0.9499710 0.3732140 360 0.2544210 0.6003040 361As P 362 0.0875930 1.0000000 363end 364basis "Se_Stuttgart RLC ECP" SPHERICAL 365Se S 366 3.5881800 0.2496300 367 2.2397110 -0.5814600 368 0.3437730 0.7289380 369Se S 370 0.1313990 1.0000000 371Se P 372 1.5094270 0.1952710 373 0.8751060 -0.2539150 374 0.2908260 -0.5904870 375Se P 376 0.1002210 1.0000000 377Se P 378 0.0325160 1.0000000 379end 380basis "Br_Stuttgart RLC ECP" SPHERICAL 381Br S 382 4.7218810 0.1072970 383 2.2575550 -0.4338020 384 0.3896080 0.7720430 385Br S 386 0.1471340 1.0000000 387Br P 388 1.8969420 -0.1793950 389 0.9108990 0.2637290 390 0.3168550 0.6069520 391Br P 392 0.1095030 1.0000000 393Br P 394 0.0360970 1.0000000 395end 396basis "Kr_Stuttgart RLC ECP" SPHERICAL 397Kr S 398 35.4029610 0.0204950 399 15.6650890 -0.0991880 400 6.2477110 1.0720510 401Kr S 402 2.3942460 1.0000000 403Kr S 404 0.4534890 1.0000000 405Kr S 406 0.1721580 1.0000000 407Kr P 408 23.0290850 0.0056250 409 9.5030920 -0.0750510 410 2.8424610 1.0456890 411Kr P 412 0.6892930 1.0000000 413Kr P 414 0.2851360 1.0000000 415Kr P 416 0.1087820 1.0000000 417Kr D 418 0.7379000 1.0000000 419Kr D 420 0.3225000 1.0000000 421Kr D 422 0.1409000 1.0000000 423Kr F 424 0.7052000 1.0000000 425end 426basis "Rb_Stuttgart RLC ECP" SPHERICAL 427Rb S 428 0.7182880 0.0772200 429 0.2739780 -0.3446230 430 0.0323060 0.7263260 431Rb S 432 0.0152320 1.0000000 433Rb P 434 0.1619670 -0.0962530 435 0.0507710 0.2008450 436 0.0221330 0.6076980 437Rb P 438 0.0099340 1.0000000 439end 440basis "Sr_Stuttgart RLC ECP" SPHERICAL 441Sr S 442 0.7917400 0.0835140 443 0.3161780 -0.4292370 444 0.0665650 0.5239690 445Sr S 446 0.0269900 1.0000000 447Sr P 448 0.2258250 -0.1673350 449 0.0956910 0.2554970 450 0.0420770 0.6116690 451Sr P 452 0.0180770 1.0000000 453end 454basis "In_Stuttgart RLC ECP" SPHERICAL 455In S 456 1.5325620 0.2617740 457 0.9442690 -0.6254060 458 0.1767330 0.6513040 459In S 460 0.0643430 1.0000000 461In P 462 0.6414740 0.2111030 463 0.3427390 -0.2430290 464 0.1095460 -0.5601910 465In P 466 0.0389580 1.0000000 467end 468basis "Sn_Stuttgart RLC ECP" SPHERICAL 469Sn S 470 1.6003220 0.6357680 471 1.1663410 -1.0762620 472 0.2397610 0.6085820 473Sn S 474 0.0872370 1.0000000 475Sn P 476 2.1046770 0.0789500 477 1.3710940 -0.1911590 478 0.2013930 0.5425460 479Sn P 480 0.0659950 1.0000000 481end 482basis "Sb_Stuttgart RLC ECP" SPHERICAL 483Sb S 484 2.2207990 0.2567130 485 1.2678380 -0.6690110 486 0.2609560 0.6464600 487Sb S 488 0.1000660 1.0000000 489Sb P 490 2.1493490 0.1089150 491 1.4342120 -0.2513970 492 0.2426310 0.5739470 493Sb P 494 0.0834160 1.0000000 495end 496basis "Te_Stuttgart RLC ECP" SPHERICAL 497Te S 498 2.4712220 0.2419560 499 1.5099950 -0.6004880 500 0.2546770 0.7635220 501Te S 502 0.1026310 1.0000000 503Te P 504 2.3887340 0.1581810 505 1.6441650 -0.3249320 506 0.2899730 0.5856550 507Te P 508 0.0967530 1.0000000 509Te P 510 0.0297670 1.0000000 511end 512basis "I_Stuttgart RLC ECP" SPHERICAL 513I S 514 2.1227650 1.1040280 515 1.7704810 -1.5353260 516 0.3130840 0.7516030 517I S 518 0.1240710 1.0000000 519I P 520 2.4328870 0.4422320 521 2.1372490 -0.5838090 522 0.3145460 0.6266060 523I P 524 0.1049450 1.0000000 525I P 526 0.0326410 1.0000000 527end 528basis "Xe_Stuttgart RLC ECP" SPHERICAL 529Xe S 530 7.8580150 0.0599280 531 3.4957720 -0.6490760 532 1.7588690 1.5298140 533Xe S 534 0.3147450 1.0000000 535Xe S 536 0.1511600 1.0000000 537Xe S 538 0.0712260 1.0000000 539Xe P 540 3.2145230 0.2110050 541 1.8849440 -0.7126740 542 0.4488760 1.2280800 543Xe P 544 0.2122320 1.0000000 545Xe P 546 0.1001150 1.0000000 547Xe P 548 0.0469790 1.0000000 549Xe D 550 0.4460000 1.0000000 551Xe D 552 0.2322000 1.0000000 553Xe D 554 0.1208000 1.0000000 555Xe F 556 0.5157000 1.0000000 557end 558basis "Cs_Stuttgart RLC ECP" SPHERICAL 559Cs S 560 0.3974310 0.2396470 561 0.2297960 -0.5541720 562 0.0365350 0.2513590 563Cs S 564 0.0189010 1.0000000 565Cs P 566 0.1239000 -0.1309060 567 0.0522810 0.1313700 568 0.0218970 0.6195840 569Cs P 570 0.0095740 1.0000000 571end 572basis "Ba_Stuttgart RLC ECP" SPHERICAL 573Ba S 574 0.4928470 0.2289670 575 0.2828440 -0.5810350 576 0.0448740 0.6673080 577Ba S 578 0.0205860 1.0000000 579Ba P 580 0.1537520 -0.2715930 581 0.0809870 0.3542340 582 0.0325660 0.6642640 583Ba P 584 0.0142380 1.0000000 585end 586basis "Hg_Stuttgart RLC ECP" SPHERICAL 587Hg S 588 1.3548420 0.2364940 589 0.8288920 -0.5996280 590 0.1339320 0.8463050 591Hg S 592 0.0510170 1.0000000 593Hg P 594 1.0001460 0.1449540 595 0.8664530 -0.2049710 596 0.1182060 0.4903010 597Hg P 598 0.0351550 1.0000000 599Hg D 600 0.1900000 1.0000000 601end 602basis "Tl_Stuttgart RLC ECP" SPHERICAL 603Tl S 604 1.4633390 0.4254620 605 0.9909960 -0.8297730 606 0.1632550 0.8324440 607Tl S 608 0.0608020 1.0000000 609Tl P 610 1.3425020 0.0971080 611 0.9939890 -0.1932540 612 0.1496930 0.5147750 613Tl P 614 0.0456120 1.0000000 615Tl D 616 0.1500000 1.0000000 617end 618basis "Pb_Stuttgart RLC ECP" SPHERICAL 619Pb S 620 1.3051750 1.0104020 621 1.1352820 -1.4023550 622 0.2027710 0.7933720 623Pb S 624 0.0817960 1.0000000 625Pb P 626 1.4416840 0.1456260 627 0.9771430 -0.3198630 628 0.1945050 0.5536900 629Pb P 630 0.0627100 1.0000000 631Pb D 632 0.1700000 1.0000000 633end 634basis "Bi_Stuttgart RLC ECP" SPHERICAL 635Bi S 636 1.4253880 0.0760080 637 0.9849140 -0.4574080 638 0.2525140 0.7021840 639Bi S 640 0.1006190 1.0000000 641Bi P 642 1.5172830 0.3466820 643 1.2533070 -0.5133130 644 0.2079490 0.6484570 645Bi P 646 0.0694330 1.0000000 647Bi D 648 0.1700000 1.0000000 649end 650basis "Po_Stuttgart RLC ECP" SPHERICAL 651Po S 652 1.9570300 0.3567870 653 1.2992660 -0.8254650 654 0.2844790 0.8602430 655Po S 656 0.0994230 1.0000000 657Po P 658 1.7311350 0.1738230 659 1.2821620 -0.3364260 660 0.2354460 0.6932420 661Po P 662 0.0722990 1.0000000 663Po P 664 0.0202070 1.0000000 665Po D 666 0.2100000 1.0000000 667end 668basis "At_Stuttgart RLC ECP" SPHERICAL 669At S 670 1.9624200 0.5190180 671 1.3873590 -1.0256140 672 0.2962310 0.9535080 673At S 674 0.1041270 1.0000000 675At P 676 2.2021380 0.0634430 677 1.3387910 -0.1945740 678 0.2620810 0.6511040 679At P 680 0.0962680 1.0000000 681At P 682 0.0378490 1.0000000 683At D 684 0.2300000 1.0000000 685end 686basis "Rn_Stuttgart RLC ECP" SPHERICAL 687Rn S 688 1.9783250 0.6789880 689 1.5140330 -1.1841590 690 0.3246540 0.9210860 691Rn S 692 0.1273660 1.0000000 693Rn P 694 2.0310950 0.2320400 695 1.6561220 -0.3545180 696 0.2983650 0.6651200 697Rn P 698 0.1032220 1.0000000 699Rn D 700 0.2600000 1.0000000 701end 702basis "Ac_Stuttgart RLC ECP" SPHERICAL 703Ac S 704 22.1940300 0.0005820 705 5.1618960 -0.2274570 706 3.4412640 1.1136920 707 2.2941760 -1.3602950 708Ac S 709 1.5294510 1.0000000 710Ac S 711 0.3858870 1.0000000 712Ac S 713 0.1023360 1.0000000 714Ac S 715 0.0409150 1.0000000 716Ac P 717 15.5815980 0.0023080 718 10.2112020 -0.0094080 719 4.2944280 0.0724550 720 1.9233260 -0.2925100 721Ac P 722 0.4718650 1.0000000 723Ac P 724 0.2073300 1.0000000 725Ac P 726 0.0613570 1.0000000 727Ac P 728 0.0230620 1.0000000 729Ac D 730 4.4321410 0.0035050 731 1.7006940 -0.0472170 732 1.0747940 0.0081990 733Ac D 734 0.3492750 1.0000000 735Ac D 736 0.1349570 1.0000000 737Ac D 738 0.0473780 1.0000000 739Ac F 740 2.1578980 0.3431490 741 0.7499590 0.4469380 742 0.2244120 0.4292070 743Ac F 744 0.0557480 1.0000000 745Ac F 746 0.0071560 1.0000000 747Ac G 748 0.5100000 1.0000000 749Ac G 750 0.1800000 1.0000000 751end 752basis "Th_Stuttgart RLC ECP" SPHERICAL 753Th S 754 10.5166570 0.0330960 755 7.0109060 -0.2339080 756 4.6738090 0.5198480 757 1.8620810 -1.0189420 758Th S 759 0.5373270 1.0000000 760Th S 761 0.2614820 1.0000000 762Th S 763 0.0682570 1.0000000 764Th S 765 0.0275220 1.0000000 766Th P 767 15.8728110 0.0015590 768 10.5818740 -0.0069170 769 3.9249540 0.1150440 770 2.2082920 -0.3349900 771Th P 772 0.4929470 1.0000000 773Th P 774 0.2151610 1.0000000 775Th P 776 0.0545080 1.0000000 777Th P 778 0.0143650 1.0000000 779Th D 780 6.0714120 0.0017310 781 1.9840490 -0.0398500 782 0.4607160 0.2696270 783Th D 784 0.2185020 1.0000000 785Th D 786 0.0987470 1.0000000 787Th D 788 0.0418720 1.0000000 789Th F 790 2.2991460 0.3237190 791 1.0205490 0.3795530 792 0.4433930 0.3340230 793Th F 794 0.1862010 1.0000000 795Th F 796 0.0715740 1.0000000 797Th G 798 0.5200000 1.0000000 799Th G 800 0.2200000 1.0000000 801end 802basis "Pa_Stuttgart RLC ECP" SPHERICAL 803Pa S 804 11.3479200 0.0253300 805 7.0871300 -0.2229290 806 4.7242860 0.5295950 807 1.9345370 -1.0268620 808Pa S 809 0.5545750 1.0000000 810Pa S 811 0.2644890 1.0000000 812Pa S 813 0.0617110 1.0000000 814Pa S 815 0.0250180 1.0000000 816Pa P 817 17.4537430 0.0011780 818 7.6978150 -0.0298850 819 5.1322690 0.0983920 820 2.1613490 -0.2977200 821Pa P 822 0.5246520 1.0000000 823Pa P 824 0.2265150 1.0000000 825Pa P 826 0.0531380 1.0000000 827Pa P 828 0.0137180 1.0000000 829Pa D 830 6.7811600 0.0020550 831 2.2671730 -0.0397730 832 0.5406500 0.2501230 833Pa D 834 0.2566310 1.0000000 835Pa D 836 0.1138060 1.0000000 837Pa D 838 0.0471060 1.0000000 839Pa F 840 2.1660530 0.3672780 841 0.9571210 0.4121360 842 0.4186070 0.3133340 843Pa F 844 0.1770450 1.0000000 845Pa F 846 0.0673510 1.0000000 847Pa G 848 0.7000000 1.0000000 849Pa G 850 0.2000000 1.0000000 851end 852basis "U_Stuttgart RLC ECP" SPHERICAL 853U S 854 12.1252530 0.0219210 855 7.1615450 -0.2251600 856 4.7748360 0.5602990 857 2.0116930 -1.0712090 858U S 859 0.5868520 1.0000000 860U S 861 0.2791150 1.0000000 862U S 863 0.0633720 1.0000000 864U S 865 0.0256110 1.0000000 866U P 867 17.2547700 0.0013980 868 7.7353560 -0.0333460 869 5.1558780 0.1105780 870 2.2416700 -0.3172680 871U P 872 0.5818580 1.0000000 873U P 874 0.2679080 1.0000000 875U P 876 0.0834420 1.0000000 877U P 878 0.0321300 1.0000000 879U D 880 4.8410700 0.0057310 881 2.1601620 -0.0572360 882 0.5756300 0.2388280 883U D 884 0.2781360 1.0000000 885U D 886 0.1248790 1.0000000 887U D 888 0.0515480 1.0000000 889U F 890 2.4364410 0.3550110 891 1.1446820 0.4008460 892 0.5296930 0.3046790 893U F 894 0.2405960 1.0000000 895U F 896 0.1018670 1.0000000 897U G 898 1.1800000 1.0000000 899U G 900 0.4200000 1.0000000 901end 902basis "Np_Stuttgart RLC ECP" SPHERICAL 903Np S 904 13.4609030 0.0196310 905 7.7809600 -0.1612090 906 4.6203520 0.5363840 907 2.0983940 -1.1202000 908Np S 909 0.6129150 1.0000000 910Np S 911 0.2909640 1.0000000 912Np S 913 0.0643400 1.0000000 914Np S 915 0.0259310 1.0000000 916Np P 917 12.7691190 0.0063010 918 8.5105620 -0.0368350 919 5.1851320 0.1181380 920 2.3558060 -0.3255550 921Np P 922 0.5770820 1.0000000 923Np P 924 0.2463730 1.0000000 925Np P 926 0.0549020 1.0000000 927Np P 928 0.0138670 1.0000000 929Np D 930 4.7617310 0.0071940 931 2.3097960 -0.0585300 932 0.6076910 0.2470820 933Np D 934 0.2879910 1.0000000 935Np D 936 0.1274170 1.0000000 937Np D 938 0.0521610 1.0000000 939Np F 940 2.6460180 0.3411570 941 1.3025000 0.4007460 942 0.6025570 0.3174910 943Np F 944 0.2624020 1.0000000 945Np F 946 0.1011290 1.0000000 947Np G 948 1.3100000 1.0000000 949Np G 950 0.3700000 1.0000000 951end 952basis "Pu_Stuttgart RLC ECP" SPHERICAL 953Pu S 954 12.9393940 0.0087160 955 6.6453900 -0.2082290 956 4.4293300 0.7092390 957 2.2320720 -1.2462920 958Pu S 959 0.6322700 1.0000000 960Pu S 961 0.3002480 1.0000000 962Pu S 963 0.0654080 1.0000000 964Pu S 965 0.0262790 1.0000000 966Pu P 967 13.4448440 0.0021300 968 8.9625080 -0.0142420 969 4.1465400 0.1946170 970 2.6559140 -0.4186030 971Pu P 972 0.5957420 1.0000000 973Pu P 974 0.2535360 1.0000000 975Pu P 976 0.0557050 1.0000000 977Pu P 978 0.0139630 1.0000000 979Pu D 980 4.4260630 0.0114530 981 2.5068130 -0.0617940 982 0.6223960 0.2690650 983Pu D 984 0.2853480 1.0000000 985Pu D 986 0.1234910 1.0000000 987Pu D 988 0.0502340 1.0000000 989Pu F 990 2.8431700 0.3069440 991 1.4979210 0.3911510 992 0.7130630 0.3304900 993Pu F 994 0.3127230 1.0000000 995Pu F 996 0.1204860 1.0000000 997Pu G 998 1.5900000 1.0000000 999Pu G 1000 0.4500000 1.0000000 1001end 1002basis "Am_Stuttgart RLC ECP" SPHERICAL 1003Am S 1004 8.0784100 -0.1888230 1005 5.3856070 0.6640350 1006 3.5904040 -0.1589370 1007 2.3936030 -1.0980600 1008Am S 1009 0.8842150 1.0000000 1010Am S 1011 0.3796470 1.0000000 1012Am S 1013 0.0706530 1.0000000 1014Am S 1015 0.0285350 1.0000000 1016Am P 1017 13.1928620 0.0023030 1018 8.7943810 -0.0161990 1019 4.1701030 0.2273360 1020 2.7798220 -0.4524170 1021Am P 1022 0.6207000 1.0000000 1023Am P 1024 0.2625320 1.0000000 1025Am P 1026 0.0565640 1.0000000 1027Am P 1028 0.0140170 1.0000000 1029Am D 1030 4.7379970 0.0096180 1031 2.5473960 -0.0597000 1032 0.6685140 0.2456710 1033Am D 1034 0.3095740 1.0000000 1035Am D 1036 0.1342570 1.0000000 1037Am D 1038 0.0538380 1.0000000 1039Am F 1040 15.8487130 0.0051350 1041 2.9128810 0.3509070 1042 1.3806330 0.4442870 1043Am F 1044 0.5687520 1.0000000 1045Am F 1046 0.2032570 1.0000000 1047Am G 1048 1.7100000 1.0000000 1049Am G 1050 0.5100000 1.0000000 1051end 1052basis "Cm_Stuttgart RLC ECP" SPHERICAL 1053Cm S 1054 10.3780570 0.1489790 1055 6.9194130 -1.0464340 1056 4.6124700 2.6281060 1057 2.9225060 -2.5507410 1058Cm S 1059 0.6925480 1.0000000 1060Cm S 1061 0.3252690 1.0000000 1062Cm S 1063 0.0719370 1.0000000 1064Cm S 1065 0.0284880 1.0000000 1066Cm P 1067 13.5512720 0.0029010 1068 9.0334230 -0.0171440 1069 4.2198500 0.2298140 1070 2.8129820 -0.4565430 1071Cm P 1072 0.6329320 1.0000000 1073Cm P 1074 0.2674550 1.0000000 1075Cm P 1076 0.0573670 1.0000000 1077Cm P 1078 0.0142630 1.0000000 1079Cm D 1080 4.6918850 0.0099220 1081 2.6067960 -0.0560920 1082 0.6715960 0.2344090 1083Cm D 1084 0.3058520 1.0000000 1085Cm D 1086 0.1302170 1.0000000 1087Cm D 1088 0.0509310 1.0000000 1089Cm F 1090 14.0677900 0.0098400 1091 3.2430340 0.3505310 1092 1.5613510 0.4651530 1093Cm F 1094 0.6350000 1.0000000 1095Cm F 1096 0.2237200 1.0000000 1097Cm G 1098 2.0000000 1.0000000 1099Cm G 1100 0.6000000 1.0000000 1101end 1102basis "Bk_Stuttgart RLC ECP" SPHERICAL 1103Bk S 1104 11.1885950 0.1082070 1105 7.4583660 -0.7838590 1106 4.9717790 2.0043850 1107 3.0303410 -2.1197910 1108Bk S 1109 0.7476860 1.0000000 1110Bk S 1111 0.3513140 1.0000000 1112Bk S 1113 0.0755400 1.0000000 1114Bk S 1115 0.0297670 1.0000000 1116Bk P 1117 9.1227940 -0.0191240 1118 6.0818630 0.0549250 1119 4.0545750 0.1216600 1120 2.7030500 -0.4251490 1121Bk P 1122 0.7046200 1.0000000 1123Bk P 1124 0.2971790 1.0000000 1125Bk P 1126 0.0607040 1.0000000 1127Bk P 1128 0.0149380 1.0000000 1129Bk D 1130 4.9745860 0.0092270 1131 2.7232250 -0.0527810 1132 0.6956860 0.2366330 1133Bk D 1134 0.3057570 1.0000000 1135Bk D 1136 0.1261230 1.0000000 1137Bk D 1138 0.0481280 1.0000000 1139Bk F 1140 14.4907480 0.0093760 1141 3.1677510 0.3504540 1142 1.5355330 0.4662840 1143Bk F 1144 0.6321710 1.0000000 1145Bk F 1146 0.2241100 1.0000000 1147Bk G 1148 1.9400000 1.0000000 1149Bk G 1150 0.5800000 1.0000000 1151end 1152basis "Cf_Stuttgart RLC ECP" SPHERICAL 1153Cf S 1154 10.4687000 0.1846040 1155 6.9795690 -1.2965940 1156 4.6527560 3.4178270 1157 3.1020310 -3.2195380 1158Cf S 1159 0.7821150 1.0000000 1160Cf S 1161 0.3689890 1.0000000 1162Cf S 1163 0.0770900 1.0000000 1164Cf S 1165 0.0303740 1.0000000 1166Cf P 1167 9.1227940 -0.0202820 1168 6.0818630 0.0638650 1169 4.0545750 0.1004600 1170 2.7030500 -0.4123110 1171Cf P 1172 0.7322650 1.0000000 1173Cf P 1174 0.3079780 1.0000000 1175Cf P 1176 0.0616650 1.0000000 1177Cf P 1178 0.0150500 1.0000000 1179Cf D 1180 3.7360750 0.0136870 1181 2.4902140 -0.0690280 1182 0.8888290 0.1565290 1183Cf D 1184 0.3844070 1.0000000 1185Cf D 1186 0.1497000 1.0000000 1187Cf D 1188 0.0531450 1.0000000 1189Cf F 1190 14.2301040 0.0120850 1191 3.3861670 0.3221160 1192 1.6617850 0.4611230 1193Cf F 1194 0.6834420 1.0000000 1195Cf F 1196 0.2416560 1.0000000 1197Cf G 1198 2.0200000 1.0000000 1199Cf G 1200 0.6300000 1.0000000 1201end 1202basis "Es_Stuttgart RLC ECP" SPHERICAL 1203Es S 1204 10.6465220 0.1761280 1205 7.0976810 -1.2641950 1206 4.7317870 3.3976820 1207 3.1545250 -3.2554800 1208Es S 1209 0.8135990 1.0000000 1210Es S 1211 0.3846960 1.0000000 1212Es S 1213 0.0786830 1.0000000 1214Es S 1215 0.0309250 1.0000000 1216Es P 1217 8.8997400 -0.0294250 1218 5.9331600 0.1152900 1219 3.9554400 0.0081060 1220 2.6369600 -0.3815860 1221Es P 1222 0.7654780 1.0000000 1223Es P 1224 0.3208260 1.0000000 1225Es P 1226 0.0628750 1.0000000 1227Es P 1228 0.0152460 1.0000000 1229Es D 1230 4.7675570 0.0133700 1231 2.9571700 -0.0537940 1232 0.7222570 0.2413910 1233Es D 1234 0.3087550 1.0000000 1235Es D 1236 0.1244680 1.0000000 1237Es D 1238 0.0465140 1.0000000 1239Es F 1240 14.4143500 0.0156580 1241 3.6407300 0.3169930 1242 1.8056490 0.4821520 1243Es F 1244 0.7412470 1.0000000 1245Es F 1246 0.2612550 1.0000000 1247Es G 1248 2.0800000 1.0000000 1249Es G 1250 0.6500000 1.0000000 1251end 1252basis "Fm_Stuttgart RLC ECP" SPHERICAL 1253Fm S 1254 10.7588270 0.1814860 1255 7.1725510 -1.2994410 1256 4.7817010 3.4979230 1257 3.1878000 -3.3675860 1258Fm S 1259 0.8520540 1.0000000 1260Fm S 1261 0.4054190 1.0000000 1262Fm S 1263 0.0802740 1.0000000 1264Fm S 1265 0.0314830 1.0000000 1266Fm P 1267 7.3672040 -0.0364020 1268 4.9108760 0.2272540 1269 2.9729090 -0.4722210 1270 0.7879560 0.6979440 1271Fm P 1272 0.3532160 1.0000000 1273Fm P 1274 0.1181410 1.0000000 1275Fm P 1276 0.0403570 1.0000000 1277Fm P 1278 0.0108980 1.0000000 1279Fm D 1280 4.7916180 0.0146930 1281 3.0489580 -0.0545640 1282 0.7441840 0.2432000 1283Fm D 1284 0.3165720 1.0000000 1285Fm D 1286 0.1269570 1.0000000 1287Fm D 1288 0.0471480 1.0000000 1289Fm F 1290 14.8061920 0.0183250 1291 3.9000190 0.2950550 1292 1.9457800 0.4932440 1293Fm F 1294 0.7981540 1.0000000 1295Fm F 1296 0.2802310 1.0000000 1297Fm G 1298 2.2100000 1.0000000 1299Fm G 1300 0.7000000 1.0000000 1301end 1302basis "Md_Stuttgart RLC ECP" SPHERICAL 1303Md S 1304 10.4785060 0.2443880 1305 6.9856710 -1.6753500 1306 4.6571140 4.3401660 1307 3.1047420 -4.0874640 1308Md S 1309 0.9440160 1.0000000 1310Md S 1311 0.4613860 1.0000000 1312Md S 1313 0.0809620 1.0000000 1314Md S 1315 0.0318010 1.0000000 1316Md P 1317 7.2938400 -0.0361000 1318 4.8630470 0.2511630 1319 3.0403170 -0.5130490 1320 0.8629920 0.6465640 1321Md P 1322 0.4227390 1.0000000 1323Md P 1324 0.1923680 1.0000000 1325Md P 1326 0.0501460 1.0000000 1327Md P 1328 0.0040390 1.0000000 1329Md D 1330 5.3500450 0.0101030 1331 3.0106320 -0.0501600 1332 0.7653980 0.2483860 1333Md D 1334 0.3203070 1.0000000 1335Md D 1336 0.1264090 1.0000000 1337Md D 1338 0.0464610 1.0000000 1339Md F 1340 15.3181320 0.0202410 1341 4.1456120 0.2721840 1342 2.0723740 0.5039190 1343Md F 1344 0.8513500 1.0000000 1345Md F 1346 0.2981560 1.0000000 1347Md G 1348 2.3000000 1.0000000 1349Md G 1350 0.7300000 1.0000000 1351end 1352basis "No_Stuttgart RLC ECP" SPHERICAL 1353No S 1354 10.5500640 0.2460360 1355 7.0333770 -1.6659760 1356 4.6889170 4.2797680 1357 3.1259450 -4.0009080 1358No S 1359 0.9136190 1.0000000 1360No S 1361 0.4335410 1.0000000 1362No S 1363 0.0705070 1.0000000 1364No S 1365 0.0277230 1.0000000 1366No P 1367 7.2126040 -0.0315180 1368 4.8084910 0.2350020 1369 3.0269210 -0.4843320 1370 0.8335940 0.6465870 1371No P 1372 0.3842610 1.0000000 1373No P 1374 0.1619280 1.0000000 1375No P 1376 0.0392760 1.0000000 1377No P 1378 0.0096540 1.0000000 1379No D 1380 2.2472690 -0.0290700 1381 0.8464050 0.1094090 1382 0.3358880 0.2305710 1383No D 1384 0.1253000 1.0000000 1385No D 1386 0.0466790 1.0000000 1387No D 1388 0.0173090 1.0000000 1389No F 1390 16.8637190 0.0231750 1391 4.9464410 0.2204960 1392 2.4231320 0.5148740 1393No F 1394 0.9882010 1.0000000 1395No F 1396 0.3418850 1.0000000 1397No G 1398 2.5600000 1.0000000 1399No G 1400 0.8200000 1.0000000 1401end 1402basis "Lr_Stuttgart RLC ECP" SPHERICAL 1403Lr S 1404 10.1456750 0.3039820 1405 6.7643220 -2.0335410 1406 4.5095480 5.1691290 1407 3.0063650 -4.8520130 1408Lr S 1409 1.0737890 1.0000000 1410Lr S 1411 0.5279120 1.0000000 1412Lr S 1413 0.0858790 1.0000000 1414Lr S 1415 0.0339150 1.0000000 1416Lr P 1417 6.9311460 -0.0346010 1418 4.6204770 0.3009700 1419 3.1317520 -0.5515050 1420 0.8384750 0.6690650 1421Lr P 1422 0.3963410 1.0000000 1423Lr P 1424 0.1675290 1.0000000 1425Lr P 1426 0.0625550 1.0000000 1427Lr P 1428 0.0231000 1.0000000 1429Lr D 1430 4.6951760 -0.0154400 1431 3.1304290 0.0477220 1432 0.7128390 -0.2309240 1433Lr D 1434 0.2845060 1.0000000 1435Lr D 1436 0.1069760 1.0000000 1437Lr D 1438 0.0376250 1.0000000 1439Lr F 1440 20.1066180 0.0225040 1441 6.3747990 0.1614720 1442 2.9695080 0.5336010 1443Lr F 1444 1.2481740 1.0000000 1445Lr F 1446 0.4429700 1.0000000 1447Lr G 1448 2.9100000 1.0000000 1449Lr G 1450 0.9500000 1.0000000 1451end 1452ASSOCIATED_ECP "stuttgart_rlc_ecp" 1453# ELEMENTS REFERENCES 1454# --------- ---------- 1455# 1456 1457 1458# Stuttgart RLC ECP EMSL Basis Set Exchange Library 3/15/13 10:19 AM 1459# ELEMENTS REFERENCES 1460# --------- ---------- 1461# 1462 1463 1464 1465ecp "Li_Stuttgart RLC ECP" 1466Li nelec 2 1467Li ul 14682 1.000000000 0.000000000 1469Li S 14702 1.276000000 5.786000000 1471Li P 14722 1.607000000 -1.065000000 1473end 1474ecp "Be_Stuttgart RLC ECP" 1475Be nelec 2 1476Be ul 14772 1.000000000 0.000000000 1478Be S 14792 2.653000000 13.325000000 1480Be P 14812 3.120000000 -1.574000000 1482end 1483ecp "B_Stuttgart RLC ECP" 1484B nelec 2 1485B ul 14862 1.000000000 0.000000000 1487B S 14882 4.506100000 23.992960000 1489B P 14902 5.229500000 -1.766724000 1491B D 14922 0.010800000 -0.001754000 1493end 1494ecp "C_Stuttgart RLC ECP" 1495C nelec 2 1496C ul 14972 1.000000000 0.000000000 1498C S 14992 6.401052000 33.121638000 1500C P 15012 7.307747000 -1.986257000 1502C D 15032 5.961796000 -9.454318000 1504end 1505ecp "N_Stuttgart RLC ECP" 1506N nelec 2 1507N ul 15082 1.000000000 0.000000000 1509N S 15102 7.977232000 38.533831000 1511N P 15122 10.183854000 -2.550810000 1513N D 15142 11.559947000 -2.995545000 1515end 1516ecp "O_Stuttgart RLC ECP" 1517O nelec 2 1518O ul 15192 1.000000000 0.000000000 1520O S 15212 10.445670000 50.771069000 1522O P 15232 18.045174000 -4.903551000 1524O D 15252 8.164798000 -3.312124000 1526end 1527ecp "F_Stuttgart RLC ECP" 1528F nelec 2 1529F ul 15302 1.000000000 0.000000000 1531F S 15322 22.350400000 102.597952000 15332 11.175200000 19.049663000 1534F P 15352 26.476800000 -15.143960000 15362 13.238400000 2.802921000 1537F D 15382 0.031600000 -0.001863000 1539end 1540ecp "Ne_Stuttgart RLC ECP" 1541Ne nelec 2 1542Ne ul 15432 1.000000000 0.000000000 1544Ne S 15452 31.860162000 112.525435660 15462 12.362219000 28.300834540 1547Ne P 15482 21.508034000 -11.126585430 15492 12.910447000 3.387549190 1550Ne D 15512 0.850385000 -0.184089210 1552end 1553ecp "Na_Stuttgart RLC ECP" 1554Na nelec 10 1555Na ul 15562 1.000000000 0.000000000 1557Na S 15582 1.378000000 10.839000000 1559Na P 15602 0.663900000 2.303000000 1561Na D 15622 0.924900000 -1.777000000 1563end 1564ecp "Mg_Stuttgart RLC ECP" 1565Mg nelec 10 1566Mg ul 15672 1.000000000 0.000000000 1568Mg S 15692 1.732000000 14.676000000 1570Mg P 15712 1.115000000 5.175700000 1572Mg D 15732 1.203000000 -1.816000000 1574end 1575ecp "Al_Stuttgart RLC ECP" 1576Al nelec 10 1577Al ul 15782 1.000000000 0.000000000 1579Al S 15802 2.198225000 20.409813000 1581Al P 15822 1.601395000 8.980495000 1583Al D 15842 1.499026000 -1.970411000 1585end 1586ecp "Si_Stuttgart RLC ECP" 1587Si nelec 10 1588Si ul 15892 1.000000000 0.000000000 1590Si S 15912 2.713621970 26.623318650 1592Si P 15932 1.966879870 10.929953910 1594Si D 15952 2.710016000 -4.669412000 1596end 1597ecp "P_Stuttgart RLC ECP" 1598P nelec 10 1599P ul 16002 1.000000000 0.000000000 1601P S 16022 2.940559860 26.532261310 1603P P 16042 2.227712550 11.497210210 1605P D 16062 5.661706000 -16.772780000 1607end 1608ecp "S_Stuttgart RLC ECP" 1609S nelec 10 1610S ul 16112 1.000000000 0.000000000 1612S S 16132 3.743891640 37.974819000 1614S P 16152 3.086087440 18.790529310 1616S D 16172 4.862414000 -7.837964000 1618end 1619ecp "Cl_Stuttgart RLC ECP" 1620Cl nelec 10 1621Cl ul 16222 1.000000000 0.000000000 1623Cl S 16242 6.394300000 33.136632000 16252 3.197100000 16.270728000 1626Cl P 16272 5.620700000 24.416993000 16282 2.810300000 7.683050000 1629Cl D 16302 5.338100000 -8.587649000 1631end 1632ecp "Ar_Stuttgart RLC ECP" 1633Ar nelec 10 1634Ar ul 16352 1.000000000 0.000000000 1636Ar S 16372 10.261721000 68.667788010 16382 3.952725000 24.042766290 1639Ar P 16402 5.392714000 27.730763310 16412 2.699967000 4.045459040 1642Ar D 16432 8.086235000 -8.137476960 16442 4.016632000 -1.664528080 1645Ar F 16462 5.208459000 -3.400098450 1647end 1648ecp "K_Stuttgart RLC ECP" 1649K nelec 18 1650K ul 16512 1.000000000 0.000000000 1652K S 16532 0.853000000 13.564000000 1654K P 16552 0.369600000 2.648000000 1656K D 16572 0.663900000 -4.517000000 1658end 1659ecp "Ca_Stuttgart RLC ECP" 1660Ca nelec 18 1661Ca ul 16622 1.000000000 0.000000000 1663Ca S 16642 0.898000000 12.466000000 1665Ca P 16662 0.548000000 5.146000000 1667Ca D 16682 1.119000000 -7.709000000 1669end 1670ecp "Zn_Stuttgart RLC ECP" 1671Zn nelec 28 1672Zn ul 16732 1.000000000 0.000000000 1674Zn S 16752 1.500000000 14.936800000 16762 0.750000000 -2.626600000 1677Zn P 16782 1.500000000 11.432900000 16792 0.750000000 -1.493900000 1680Zn D 16812 0.750000000 1.169000000 16822 0.375000000 0.370700000 1683end 1684ecp "Ga_Stuttgart RLC ECP" 1685Ga nelec 28 1686Ga ul 16872 1.000000000 0.000000000 1688Ga S 16892 5.215960000 203.853972000 1690Ga P 16912 4.308904000 156.103390000 1692Ga D 16932 0.496357000 1.031647000 1694Ga F 16952 1.715170000 -10.673735000 1696end 1697ecp "Ge_Stuttgart RLC ECP" 1698Ge nelec 28 1699Ge ul 17002 1.000000000 0.000000000 1701Ge S 17022 4.815409000 149.246579000 1703Ge P 17042 4.169515000 132.844335000 1705Ge D 17062 0.591958000 1.346154000 1707Ge F 17082 1.791770000 -7.044223000 1709end 1710ecp "As_Stuttgart RLC ECP" 1711As nelec 28 1712As ul 17132 1.000000000 0.000000000 1714As S 17152 3.612625000 53.965620000 1716As P 17172 3.907926000 88.949088000 1718As D 17192 1.926467000 22.420288000 1720As F 17212 1.773434000 -4.704815000 1722end 1723ecp "Se_Stuttgart RLC ECP" 1724Se nelec 28 1725Se ul 17262 1.000000000 0.000000000 1727Se S 17282 4.237057000 79.663345000 1729Se P 17302 2.910334000 31.560993000 1731Se D 17322 2.335701000 30.804610000 1733Se F 17342 2.254639000 -6.546875000 1735end 1736ecp "Br_Stuttgart RLC ECP" 1737Br nelec 28 1738Br ul 17392 1.000000000 0.000000000 1740Br S 17412 5.021800000 61.513721000 17422 2.510900000 9.021493000 1743Br P 17442 4.281400000 53.875864000 17452 2.140700000 4.629402000 1746Br D 17472 2.880000000 20.849677000 17482 1.440000000 2.965444000 1749Br F 17502 2.720700000 -8.161493000 1751end 1752ecp "Kr_Stuttgart RLC ECP" 1753Kr nelec 28 1754Kr ul 17552 1.000000000 0.000000000 1756Kr S 17572 5.877718000 73.915693900 17582 3.084622000 16.168250800 1759Kr P 17602 5.164110000 58.517691010 17612 2.358302000 8.259100730 1762Kr D 17632 3.215362000 33.458227760 17642 1.285008000 0.677253310 1765Kr F 17662 4.082869000 -15.158698590 17672 1.193960000 -0.174088250 1768Kr G 17692 3.180775000 -6.833158770 1770end 1771ecp "Rb_Stuttgart RLC ECP" 1772Rb nelec 36 1773Rb ul 17742 1.000000000 0.000000000 1775Rb S 17762 1.012000000 45.272000000 1777Rb P 17782 0.303600000 2.830000000 1779Rb D 17802 0.383800000 -1.975000000 1781end 1782ecp "Sr_Stuttgart RLC ECP" 1783Sr nelec 36 1784Sr ul 17852 1.000000000 0.000000000 1786Sr S 17872 0.796200000 15.387000000 1788Sr P 17892 0.421200000 5.077000000 1790Sr D 17912 0.492700000 -2.248000000 1792end 1793ecp "In_Stuttgart RLC ECP" 1794In nelec 46 1795In ul 17962 1.000000000 0.000000000 1797In S 17982 1.435091000 29.165219000 17992 0.695805000 -4.190806000 1800In P 18012 1.440832000 36.990542000 18022 0.701392000 -3.365820000 1803In D 18042 0.961236000 20.000531000 1805In F 18062 0.884369000 -6.019092000 1807end 1808ecp "Sn_Stuttgart RLC ECP" 1809Sn nelec 46 1810Sn ul 18112 1.000000000 0.000000000 1812Sn S 18132 1.969725000 67.925347000 18142 0.972375000 -7.478546000 1815Sn P 18162 1.999210000 56.602880000 18172 0.999042000 -2.161776000 1818Sn D 18192 0.500361000 2.576336000 1820Sn F 18212 1.230880000 -10.109253000 1822end 1823ecp "Sb_Stuttgart RLC ECP" 1824Sb nelec 46 1825Sb ul 18262 1.000000000 0.000000000 1827Sb S 18282 2.491091000 68.427938000 18292 1.341575000 -4.398631000 1830Sb P 18312 2.143864000 63.965469000 18322 0.585503000 -0.578726000 1833Sb D 18342 0.795401000 7.803661000 1835Sb F 18362 1.609251000 -14.517687000 1837end 1838ecp "Te_Stuttgart RLC ECP" 1839Te nelec 46 1840Te ul 18412 1.000000000 0.000000000 1842Te S 18432 2.923794000 50.083805000 18442 1.152754000 1.968140000 1845Te P 18462 2.603086000 119.820702000 18472 0.985448000 -2.039048000 1848Te D 18492 1.435019000 37.757214000 1850Te F 18512 1.939270000 -17.864641000 1852end 1853ecp "I_Stuttgart RLC ECP" 1854I nelec 46 1855I ul 18562 1.000000000 0.000000000 1857I S 18582 3.51120000 83.11386300 18592 1.75560000 5.20187600 1860I P 18612 2.96880000 82.81110900 18622 1.48440000 3.37968200 1863I D 18642 1.90660000 10.30427700 18652 0.95330000 7.58803200 1866I F 18672 2.30750000 -21.47793600 1868end 1869ecp "Xe_Stuttgart RLC ECP" 1870Xe nelec 46 1871Xe ul 18722 1.000000000 0.000000000 1873Xe S 18742 3.940263000 122.763829340 18752 2.277264000 8.308851150 1876Xe P 18772 3.028373000 68.823004370 18782 1.394319000 3.646742230 1879Xe D 18802 2.122605000 23.652078540 18812 0.798669000 3.258441130 1882Xe F 18832 6.164360000 -47.703198760 18842 1.542374000 -6.541139910 1885Xe G 18862 1.847892000 -7.105850600 1887end 1888ecp "Cs_Stuttgart RLC ECP" 1889Cs nelec 54 1890Cs ul 18912 1.000000000 0.000000000 1892Cs S 18932 1.160000000 303.500000000 1894Cs P 18952 0.244700000 2.930000000 1896Cs D 18972 0.242700000 -1.138000000 1898end 1899ecp "Ba_Stuttgart RLC ECP" 1900Ba nelec 54 1901Ba ul 19022 1.000000000 0.000000000 1903Ba S 19042 0.635600000 16.710000000 1905Ba P 19062 0.321400000 4.874000000 1907Ba D 19082 0.240300000 -0.842700000 1909end 1910ecp "Hg_Stuttgart RLC ECP" 1911Hg nelec 78 1912Hg ul 19132 1.000000000 0.000000000 1914Hg S 19152 0.227210000 -0.696178000 19162 1.657530000 27.758105000 19172 10.000248000 48.780475000 1918Hg P 19192 0.398377000 -2.735811000 19202 0.647307000 8.575637000 1921Hg D 19222 0.217999000 -0.013118000 19232 0.386058000 2.792862000 1924Hg F 19252 0.500000000 -2.635164000 1926Hg G 19272 0.800756000 -13.393716000 1928end 1929ecp "Tl_Stuttgart RLC ECP" 1930Tl nelec 78 1931Tl ul 19322 1.000000000 0.000000000 1933Tl S 19342 0.326238000 -1.016498000 19352 1.977541000 51.707959000 19362 10.000000000 73.186683000 1937Tl P 19382 0.543063000 -2.962673000 19392 1.032140000 19.730431000 1940Tl D 19412 0.354817000 2.772690000 19422 0.709633000 -3.979439000 1943Tl F 19442 0.689156000 -4.426786000 1945Tl G 19462 0.820617000 -12.270540000 1947end 1948ecp "Pb_Stuttgart RLC ECP" 1949Pb nelec 78 1950Pb ul 19512 1.000000000 0.000000000 1952Pb S 19532 0.529161000 -1.873342000 19542 1.456727000 20.860797000 19552 9.999911000 97.587955000 1956Pb P 19572 0.678119000 -7.768209000 19582 1.249013000 51.719254000 1959Pb D 19602 0.307446000 1.300760000 19612 0.744930000 2.640822000 1962Pb F 19632 0.848699000 -5.706056000 1964Pb G 19652 0.999941000 -7.484184000 1966end 1967ecp "Bi_Stuttgart RLC ECP" 1968Bi nelec 78 1969Bi ul 19702 1.000000000 0.000000000 1971Bi S 19722 0.161152000 -0.161988000 19732 1.509835000 14.031690000 19742 10.000000000 122.047401000 1975Bi P 19762 0.760490000 -6.188526000 19772 1.426415000 51.045868000 1978Bi D 19792 0.780226000 20.535804000 19802 0.260075000 -0.136196000 1981Bi F 19822 0.973608000 -6.414226000 1983Bi G 19842 1.088195000 -6.656064000 1985end 1986ecp "Po_Stuttgart RLC ECP" 1987Po nelec 78 1988Po ul 19892 1.000000000 0.000000000 1990Po S 19912 0.922386000 -4.159304000 19922 1.781915000 33.830354000 19932 10.000000000 146.339101000 1994Po P 19952 0.724291000 -4.125311000 19962 1.363860000 35.007078000 1997Po D 19982 0.476979000 1.206518000 19992 0.953957000 13.356125000 2000Po F 20012 1.075454000 -6.775174000 2002Po G 20032 1.122096000 -5.515441000 2004end 2005ecp "At_Stuttgart RLC ECP" 2006At nelec 78 2007At ul 20082 1.000000000 0.000000000 2009At S 20102 0.922386000 -5.528461000 20112 1.781915000 39.568869000 20122 10.000000000 170.711386000 2013At P 20142 0.724291000 -2.295387000 20152 1.363860000 25.492920000 2016At D 20172 0.635972000 4.865107000 20182 1.271943000 14.579413000 2019At F 20202 1.154108000 -6.857867000 2021At G 20222 1.345115000 -7.613039000 2023end 2024ecp "Rn_Stuttgart RLC ECP" 2025Rn nelec 78 2026Rn ul 20272 1.000000000 0.000000000 2028Rn S 20292 0.922386000 -5.019005000 20302 1.781915000 37.036790000 20312 10.804601000 195.103308000 2032Rn P 20332 0.724291000 -1.966481000 20342 1.363860000 23.464059000 2035Rn D 20362 0.769400000 7.483457000 20372 1.538800000 9.361900000 2038Rn F 20392 1.213897000 -6.763150000 2040Rn G 20412 1.576469000 -9.915662000 2042end 2043ecp "Ac_Stuttgart RLC ECP" 2044Ac nelec 78 2045Ac ul 20462 1.000000000 0.000000000 2047Ac S 20482 4.063653000 113.054397000 20492 1.883995000 17.083233000 20502 0.886567000 -2.666615000 2051Ac P 20522 3.986181000 115.937655000 20532 2.000160000 18.329978000 20542 0.960841000 1.307434000 2055Ac D 20562 4.147972000 60.863740000 20572 2.234563000 29.382289000 20582 0.913695000 6.969850000 2059Ac F 20602 3.998938000 48.646071000 20612 1.998840000 -29.410160000 20622 0.995641000 2.553106000 2063Ac G 20642 2.858599000 -25.140209000 20652 0.887502000 -0.341970000 2066end 2067ecp "Th_Stuttgart RLC ECP" 2068Th nelec 78 2069Th ul 20702 1.000000000 0.000000000 2071Th S 20722 4.063653000 113.326466000 20732 1.883995000 15.663755000 20742 0.886567000 -2.765902000 2075Th P 20762 3.986181000 115.953483000 20772 2.000160000 15.762190000 20782 0.960841000 1.378850000 2079Th D 20802 4.147972000 59.747811000 20812 2.234563000 17.820683000 20822 0.913695000 6.913661000 2083Th F 20842 3.998938000 49.624378000 20852 1.998840000 -26.641861000 20862 0.995641000 1.762748000 2087Th G 20882 3.166379000 -28.595941000 20892 0.860105000 -0.309653000 2090end 2091ecp "Pa_Stuttgart RLC ECP" 2092Pa nelec 78 2093Pa ul 20942 1.000000000 0.000000000 2095Pa S 20962 4.063653000 113.294844000 20972 1.883995000 15.513863000 20982 0.886567000 -3.143943000 2099Pa P 21002 3.986181000 115.895288000 21012 2.000160000 15.486291000 21022 0.960841000 0.976283000 2103Pa D 21042 4.147972000 59.669213000 21052 2.234563000 17.343726000 21062 0.913695000 6.444698000 2107Pa F 21082 3.998938000 51.677083000 21092 1.998840000 -22.941290000 21102 0.995641000 0.450258000 2111Pa G 21122 3.480650000 -31.873318000 21132 0.860105000 -0.311399000 2114end 2115ecp "U_Stuttgart RLC ECP" 2116U nelec 78 2117U ul 21182 1.000000000 0.000000000 2119U S 21202 4.063653000 112.920103000 21212 1.883995000 15.647500000 21222 0.886567000 -3.689971000 2123U P 21242 3.986181000 118.758016000 21252 2.000160000 15.077228000 21262 0.960841000 0.556720000 2127U D 21282 4.147972000 60.855892000 21292 2.234563000 29.280047000 21302 0.913695000 4.998029000 2131U F 21322 3.998938000 49.924035000 21332 1.998840000 -24.674042000 21342 0.995641000 1.389480000 2135U G 21362 3.817422000 -36.040977000 21372 0.262501000 -0.090511000 2138end 2139ecp "Np_Stuttgart RLC ECP" 2140Np nelec 78 2141Np ul 21422 1.000000000 0.000000000 2143Np S 21442 4.063653000 112.934860000 21452 1.883995000 15.549432000 21462 0.886567000 -4.135857000 2147Np P 21482 3.986181000 118.823594000 21492 2.000160000 15.280487000 21502 0.960841000 0.023696000 2151Np D 21522 4.147972000 60.813401000 21532 2.234563000 28.992308000 21542 0.913695000 4.444990000 2155Np F 21562 3.998938000 49.540431000 21572 1.998840000 -25.566757000 21582 0.995641000 1.888886000 2159Np G 21602 4.201531000 -39.834114000 21612 0.345078000 -0.141655000 2162end 2163ecp "Pu_Stuttgart RLC ECP" 2164Pu nelec 78 2165Pu ul 21662 1.000000000 0.000000000 2167Pu S 21682 4.063653000 113.806678000 21692 1.883995000 16.000761000 21702 0.886567000 -4.839949000 2171Pu P 21722 3.986181000 118.769014000 21732 2.000160000 15.005465000 21742 0.960841000 -0.445820000 2175Pu D 21762 4.147972000 60.838015000 21772 2.234563000 29.140991000 21782 0.913695000 3.925573000 2179Pu F 21802 3.998938000 49.578334000 21812 1.998840000 -25.370992000 21822 0.995641000 1.929965000 2183Pu G 21842 3.479904000 -32.535111000 21852 0.163718000 0.235917000 2186end 2187ecp "Am_Stuttgart RLC ECP" 2188Am nelec 78 2189Am ul 21902 1.000000000 0.000000000 2191Am S 21922 4.063653000 153.797169000 21932 1.883995000 -10.639855000 21942 0.886567000 1.270709000 2195Am P 21962 3.986181000 118.779064000 21972 2.000160000 14.955696000 21982 0.960841000 -1.046280000 2199Am D 22002 4.147972000 60.833778000 22012 2.234563000 29.099489000 22022 0.913695000 3.333610000 2203Am F 22042 3.998938000 48.971137000 22052 1.998840000 -26.595854000 22062 0.995641000 2.477384000 2207Am G 22082 3.940205000 -37.955572000 22092 0.174609000 0.249659000 2210end 2211ecp "Cm_Stuttgart RLC ECP" 2212Cm nelec 78 2213Cm ul 22142 1.000000000 0.000000000 2215Cm S 22162 4.063653000 253.671746000 22172 1.883995000 -11.652159000 22182 0.886567000 -3.396770000 2219Cm P 22202 3.986181000 118.740486000 22212 2.000160000 14.871570000 22222 0.960841000 -1.176509000 2223Cm D 22242 4.147972000 60.901023000 22252 2.234563000 29.500385000 22262 0.913695000 3.206729000 2227Cm F 22282 3.998938000 47.234614000 22292 1.998840000 -28.715453000 22302 0.995641000 3.783521000 2231Cm G 22322 4.082153000 -39.543894000 22332 0.274182000 0.430726000 2234end 2235ecp "Bk_Stuttgart RLC ECP" 2236Bk nelec 78 2237Bk ul 22382 1.000000000 0.000000000 2239Bk S 22402 4.063653000 203.637829000 22412 1.883995000 -11.667761000 22422 0.886567000 -2.227776000 2243Bk P 22442 3.986181000 118.715410000 22452 2.000160000 14.614616000 22462 0.960841000 -2.062679000 2247Bk D 22482 4.147972000 60.829711000 22492 2.234563000 29.058027000 22502 0.913695000 2.631080000 2251Bk F 22522 3.998938000 49.018886000 22532 1.998840000 -26.010171000 22542 0.995641000 2.509418000 2255Bk G 22562 4.546792000 -44.641695000 22572 0.295253000 0.440153000 2258end 2259ecp "Cf_Stuttgart RLC ECP" 2260Cf nelec 78 2261Cf ul 22622 1.000000000 0.000000000 2263Cf S 22642 4.063653000 263.527609000 22652 1.883995000 -12.595167000 22662 0.886567000 -5.520887000 2267Cf P 22682 3.986181000 118.668910000 22692 2.000160000 14.422696000 22702 0.960841000 -2.426644000 2271Cf D 22722 4.147972000 60.818653000 22732 2.234563000 28.989469000 22742 0.913695000 2.266591000 2275Cf F 22762 3.998938000 48.415376000 22772 1.998840000 -26.421916000 22782 0.995641000 2.891692000 2279Cf G 22802 5.232491000 -52.587008000 22812 0.243751000 0.352044000 2282end 2283ecp "Es_Stuttgart RLC ECP" 2284Es nelec 78 2285Es ul 22862 1.000000000 0.000000000 2287Es S 22882 4.063653000 253.521830000 22892 1.883995000 -12.758501000 22902 0.886567000 -5.800753000 2291Es P 22922 3.986181000 118.674152000 22932 2.000160000 14.342959000 22942 0.960841000 -2.994427000 2295Es D 22962 4.147972000 60.844869000 22972 2.234563000 29.123412000 22982 0.913695000 1.811065000 2299Es F 23002 3.998938000 48.232791000 23012 1.998840000 -27.287675000 23022 0.995641000 3.320396000 2303Es G 23042 5.674539000 -57.407820000 23052 0.271730000 0.393800000 2306end 2307ecp "Fm_Stuttgart RLC ECP" 2308Fm nelec 78 2309Fm ul 23102 1.000000000 0.000000000 2311Fm S 23122 4.063653000 253.476841000 23132 1.883995000 -12.920523000 23142 0.886567000 -6.591056000 2315Fm P 23162 3.986181000 118.706857000 23172 2.000160000 14.360631000 23182 0.960841000 -3.663087000 2319Fm D 23202 4.147972000 60.816163000 23212 2.234563000 28.945955000 23222 0.913695000 1.400804000 2323Fm F 23242 3.998938000 47.932397000 23252 1.998840000 -27.413196000 23262 0.995641000 3.464577000 2327Fm G 23282 6.119053000 -62.126836000 23292 0.303551000 0.439572000 2330end 2331ecp "Md_Stuttgart RLC ECP" 2332Md nelec 78 2333Md ul 23342 1.000000000 0.000000000 2335Md S 23362 4.063653000 303.343129000 23372 1.883995000 -13.768663000 23382 0.886567000 -9.545129000 2339Md P 23402 3.986181000 118.596770000 23412 2.000160000 13.973068000 23422 0.960841000 -4.303232000 2343Md D 23442 4.147972000 60.831769000 23452 2.234563000 29.009879000 23462 0.913695000 0.983959000 2347Md F 23482 3.998938000 47.922929000 23492 1.998840000 -27.025078000 23502 0.995641000 3.386758000 2351Md G 23522 6.582119000 -67.006765000 23532 0.334542000 0.486220000 2354end 2355ecp "No_Stuttgart RLC ECP" 2356No nelec 78 2357No ul 23582 1.000000000 0.000000000 2359No S 23602 4.063653000 303.281335000 23612 1.883995000 -14.016624000 23622 0.886567000 -9.935065000 2363No P 23642 3.986181000 118.532926000 23652 2.000160000 13.754070000 23662 0.960841000 -4.289201000 2367No D 23682 4.147972000 60.919646000 23692 2.234563000 29.430159000 23702 0.913695000 0.736525000 2371No F 23722 3.998938000 45.875353000 23732 1.998840000 -29.564413000 23742 0.995641000 4.860161000 2375No G 23762 7.081770000 -72.344985000 23772 0.359223000 0.530597000 2378end 2379ecp "Lr_Stuttgart RLC ECP" 2380Lr nelec 78 2381Lr ul 23822 1.000000000 0.000000000 2383Lr S 23842 4.063653000 353.224920000 23852 1.883995000 -14.710080000 23862 0.886567000 -12.359256000 2387Lr P 23882 3.986181000 118.525956000 23892 2.000160000 13.723600000 23902 0.960841000 -4.443577000 2391Lr D 23922 4.147972000 61.130114000 23932 2.234563000 30.326743000 23942 0.913695000 0.464219000 2395Lr F 23962 3.998938000 44.051278000 23972 1.998840000 -31.822353000 23982 0.995641000 6.373566000 2399Lr G 24002 7.539585000 -76.800264000 24012 0.400426000 0.583576000 2402end 2403